2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol

C15H14Cl2OS — CID 107312537

IUPAC2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C15H14Cl2OS/c16-11-5-1-4-10(15(11)17)7-12(18)14-8-9-3-2-6-13(9)19-14/h1,4-5,8,12,18H,2-3,6-7H2
InChIKeyVFDLAGXYNDGQMH-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.82
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol

2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol (PubChem CID 107312537) has the molecular formula C15H14Cl2OS and a molecular weight of 313.25 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
PubChem CID107312537
Molecular FormulaC15H14Cl2OS
Molecular Weight313.25 g/mol
Exact Mass312.01
IUPAC Name2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
SMILESOC(Cc1cccc(Cl)c1Cl)c1cc2c(s1)CCC2
InChIInChI=1S/C15H14Cl2OS/c16-11-5-1-4-10(15(11)17)7-12(18)14-8-9-3-2-6-13(9)19-14/h1,4-5,8,12,18H,2-3,6-7H2
InChIKeyVFDLAGXYNDGQMH-UHFFFAOYSA-N
XLogP4.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 107312914
2-(2-chloro-5-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 102623142
2-(2-chloro-3-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 105032353
2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63016952
[2-(2,6-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105293121
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 55150651
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-pyridin-3-ylethanol
CID 115832035
2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115788325
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-thiophen-3-ylethanol
CID 63016158
2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 115801375
2-(2,6-dichlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanol
CID 115782584
2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethylethanamine
CID 63527023

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol (CID 107312537) is 2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol is OC(Cc1cccc(Cl)c1Cl)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
The InChIKey is VFDLAGXYNDGQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2OS/c16-11-5-1-4-10(15(11)17)7-12(18)14-8-9-3-2-6-13(9)19-14/h1,4-5,8,12,18H,2-3,6-7H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol?
2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol has a molecular weight of 313.25 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol is sourced from PubChem (CID 107312537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).